SCHEMBL7051591

SCHEMBL7051591

O=C(O)c1ccc(N2CCC[C@H](Nc3ncccn3)C2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.46
ITGAV P06756 1/20 0.46
ITGA2B P08514 1/20 0.46
PPARA Q07869 4/20 0.40
PPARD Q03181 3/20 0.40
DRD2 P14416 4/20 0.40
DRD3 P35462 4/20 0.40
ALDH1A1 P00352 1/20 0.39
CASR P41180 1/20 0.39
MAPK8 P45983 1/20 0.39
KDM4E B2RXH2 4/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PPARG P37231 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7469681 0.88 NOTUM (0.43) ITGB3ITGAVITGA2BDRD2DRD3
SCHEMBL7463196 0.87 PPARA (0.41) PPARAPPARDDRD2DRD3CASR
SCHEMBL7050644 0.85 OPRK1 (0.49) ITGB3ITGAVITGA2BALDH1A1KDM4E
SCHEMBL7463214 0.82 CASR (0.54) ITGB3ITGAVITGA2BPPARADRD2
SCHEMBL7053339 0.82 CASR (0.54) ITGB3ITGAVITGA2BPPARADRD2
SCHEMBL7469473 0.82 MAPK8 (0.39) DRD2DRD3ALDH1A1MAPK8KDM4E
SCHEMBL6498986 0.81 KDM4E (0.54) PPARAPPARDDRD2DRD3ALDH1A1
SCHEMBL6497606 0.81 KDM4E (0.54) PPARAPPARDDRD2DRD3ALDH1A1
SCHEMBL7467132 0.79 CASR (0.51) PPARADRD2DRD3ALDH1A1CASR
SCHEMBL7469825 0.79 MEN1 (0.41) PPARAPPARDALDH1A1CASRKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030040531-A1 Remedies for reperfusion injury containing integrin alphanubeta 3 antagonist MEIJI SEIKA KAISHA, LTD. (JP) 2003-02-27 US disclosed
EP-1250935-A1 REMEDIES FOR REPERFUSION INJURY CONTAINING INTEGRIN ALPHAvBETA3 ANTAGONIST MEIJI SEIKA KAISHA LTD. (JP) 2002-10-23 EP disclosed
EP-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030040531-A1 Remedies for reperfusion injury containing integrin alphanubeta 3 antagonist ITGB3, ITGAV, ITGB1 ITGB3 1/4885ITGAV 2/4885ITGA2B 7/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.